Information card for entry 7032105

Structure parameters

• Common name: [Co(TPTA)0.5(4,4'-bpy)0.5(H2O)2]n
• Formula: C16 H13 Co N O6
• Calculated formula: C16 H9 Co N O6
• Title of publication: Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.
• Authors of publication: Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15475 - 15481
• a: 18.905 ± 0.004 Å
• b: 11.646 ± 0.002 Å
• c: 15.432 ± 0.003 Å
• α: 90°
• β: 110.81 ± 0.03°
• γ: 90°
• Cell volume: 3176 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No